5-ethyl-2-[1-(furan-3-ylmethyl)-4-phenyl-1H-imidazol-5-yl]pyridine

• ChemBase ID: 790558
• Molecular Formular: C21H19N3O
• Molecular Mass: 329.39506
• Monoisotopic Mass: 329.15281224
• SMILES: n1(c(c(nc1)c1ccccc1)c1ncc(cc1)CC)Cc1cocc1
• Canonical SMILES: CCc1ccc(nc1)c1n(cnc1c1ccccc1)Cc1cocc1
• InChI: InChI=1S/C21H19N3O/c1-2-16-8-9-19(22-12-16)21-20(18-6-4-3-5-7-18)23-15-24(21)13-17-10-11-25-14-17/h3-12,14-15H,2,13H2,1H3
• InChIKey: WYQTYQWUNQMRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-[1-(furan-3-ylmethyl)-4-phenyl-1H-imidazol-5-yl]pyridine
• IUPAC Traditional name: 5-ethyl-2-[3-(furan-3-ylmethyl)-5-phenylimidazol-4-yl]pyridine
• Synonyms: 5-ethyl-2-[1-(3-furylmethyl)-4-phenyl-1H-imidazol-5-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.586955
• LogD (pH = 7.4): 4.6684813
• Log P: 4.6696405
• Molar Refractivity: 97.9267 cm^3
• Polarizability: 40.07147 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.36
• LOG S: -5.32
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 5